MMsINC Database Search


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MMsINC code: MMs00584468

Type: Neutral
Formula: C₁₅H₁₆N₂O

SMILES:

O=C(N(CC)c1ccccc1)Nc1ccccc1

InChI:

InChI=1/C15H16N2O/c1-2-17(14-11-7-4-8-12-14)15(18)16-13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7579 kcal/mol

Physical Properties
Molecular Weight: 240.306 g/mol	logS: -3.47327	SlogP: 3.745	Reactive groups: 0

Topological Properties
Globularity: 0.0915564	Sterimol/B1: 2.01485	Sterimol/B2: 2.57291	Sterimol/B3: 4.87541
Sterimol/B4: 6.8466	Sterimol/L: 14.384

Surface and Volume Properties
Accessible surface: 481.344	Positive charged surface: 282.223	Negative charged surface: 199.122	Volume: 250.25
Hydrophobic surface: 436.127	Hydrophilic surface: 45.217

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.